CID 54705374

Schembl4330901

Structural Information

Molecular Formula
C16H15ClN2O4
SMILES
COC1=C(C=C(C=C1)CN2CCN3C=CC(=O)C(=C3C2=O)O)Cl
InChI
InChI=1S/C16H15ClN2O4/c1-23-13-3-2-10(8-11(13)17)9-19-7-6-18-5-4-12(20)15(21)14(18)16(19)22/h2-5,8,21H,6-7,9H2,1H3
InChIKey
JDYNAUWIDBWOEM-UHFFFAOYSA-N
Compound name
2-[(3-chloro-4-methoxyphenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

334.07202 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.07930 173.3
[M+Na]+ 357.06124 184.2
[M-H]- 333.06474 177.5
[M+NH4]+ 352.10584 186.0
[M+K]+ 373.03518 178.3
[M+H-H2O]+ 317.06928 164.9
[M+HCOO]- 379.07022 186.1
[M+CH3COO]- 393.08587 207.2
[M+Na-2H]- 355.04669 176.4
[M]+ 334.07147 177.0
[M]- 334.07257 177.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe